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CHEMBLOCK-ZINC03624267

 MMsINC code: MMs00538655
Type: Neutral
Formula: C8H10F3N3O4
SMILES:   FC(F)(F)C1(NC(=O)N(C)C1=O)NC(OCC)=O
InChI:   InChI=1/C8H10F3N3O4/c1-3-18-6(17)13-7(8(9,10)11)4(15)14(2)5(16)12-7/h3H2,1-2H3,(H,12,16)(H,13,17)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=14.1261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.179 g/mol  logS: -1.75004  SlogP: 0.5926  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.113838  Sterimol/B1: 2.96478  Sterimol/B2: 3.58298  Sterimol/B3: 3.98831
  Sterimol/B4: 5.24613  Sterimol/L: 12.9114 
 
 Surface and Volume Properties
  Accessible surface: 431.48  Positive charged surface: 257.465  Negative charged surface: 174.014  Volume: 199.5
  Hydrophobic surface: 184.733  Hydrophilic surface: 246.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.